0 mol 36 unq 0 iso 0 dist 8.9566 8.61422 6.03866 8.79119 4.10339 6.6055 numMergedOcc 0
1 mol 36 unq 1 iso 0 dist 4.10339 6.6055 6.03866 8.79119 8.9566 8.61422 numMergedOcc 0
2 mol 86 unq 0 iso 0 dist 9.94012 8.39775 14.4687 6.29584 5.85076 13.642 numMergedOcc 0
3 mol 96 unq 0 iso 0 dist 5.5851 8.9912 4.63351 5.35227 9.21945 13.5323 numMergedOcc 0
4 mol 148 unq 0 iso 0 dist 6.72591 7.91749 8.03052 8.87503 5.86949 13.4908 numMergedOcc 0
5 mol 150 unq 0 iso 0 dist 6.80192 7.96309 8.06512 8.95308 5.84971 13.5243 numMergedOcc 0
6 mol 158 unq 0 iso 0 dist 6.45502 4.80508 7.82494 7.26245 8.66056 11.6369 numMergedOcc 0
7 mol 158 unq 1 iso 0 dist 6.45502 4.88625 5.34159 7.26245 8.66056 11.1342 numMergedOcc 0
8 mol 165 unq 0 iso 0 dist 3.87901 6.74196 4.89071 4.62884 5.04534 6.72652 numMergedOcc 0
9 mol 165 unq 1 iso 0 dist 5.04534 6.72652 4.89071 4.62884 3.87901 6.74196 numMergedOcc 0
10 mol 165 unq 2 iso 0 dist 5.04534 6.4503 6.22764 4.62884 3.87901 8.97737 numMergedOcc 0
11 mol 184 unq 0 iso 0 dist 9.0757 9.35481 16.095 17.1241 9.39563 22.444 numMergedOcc 0
12 mol 184 unq 1 iso 0 dist 9.0757 9.35481 16.095 13.3933 7.51045 20.6073 numMergedOcc 0
13 mol 184 unq 2 iso 0 dist 9.0757 9.11936 7.551 17.1241 9.39563 12.9857 numMergedOcc 0
14 mol 184 unq 3 iso 0 dist 9.0757 9.11936 7.551 13.3933 7.51045 13.3171 numMergedOcc 0
15 mol 184 unq 4 iso 0 dist 9.0757 8.20517 4.75805 17.1241 9.39563 9.15923 numMergedOcc 0
16 mol 184 unq 5 iso 0 dist 9.0757 8.20517 4.75805 13.3933 7.51045 6.03505 numMergedOcc 0
17 mol 184 unq 6 iso 0 dist 9.39563 9.15923 4.75805 17.1241 9.0757 8.20517 numMergedOcc 0
18 mol 184 unq 7 iso 0 dist 9.39563 9.15923 4.75805 6.72547 7.51045 6.03505 numMergedOcc 0
19 mol 184 unq 8 iso 0 dist 9.39563 7.79098 11.6574 17.1241 9.0757 15.5234 numMergedOcc 0
20 mol 184 unq 9 iso 0 dist 9.39563 7.79098 11.6574 6.72547 7.51045 6.30144 numMergedOcc 0
21 mol 184 unq 10 iso 0 dist 7.51045 6.03505 4.75805 13.3933 9.0757 8.20517 numMergedOcc 0
22 mol 184 unq 11 iso 0 dist 7.51045 6.03505 4.75805 6.72547 9.39563 9.15923 numMergedOcc 0
23 mol 184 unq 12 iso 0 dist 7.51045 6.30144 11.6574 13.3933 9.0757 15.5234 numMergedOcc 0
24 mol 184 unq 13 iso 0 dist 7.51045 6.30144 11.6574 6.72547 9.39563 7.79098 numMergedOcc 0
25 mol 198 unq 0 iso 0 dist 8.74957 9.50184 5.46544 11.389 7.91967 6.49746 numMergedOcc 0
26 mol 198 unq 1 iso 0 dist 8.74957 9.50184 5.46544 14.8323 7.83611 12.3415 numMergedOcc 0
27 mol 198 unq 2 iso 0 dist 7.91967 6.49746 5.46544 11.389 8.74957 9.50184 numMergedOcc 0
28 mol 198 unq 3 iso 0 dist 7.91967 6.49746 5.46544 14.9984 7.83611 12.3415 numMergedOcc 0
29 mol 198 unq 4 iso 0 dist 7.91967 5.8917 6.14119 11.389 8.74957 12.1523 numMergedOcc 0
30 mol 198 unq 5 iso 0 dist 7.91967 5.8917 6.14119 14.9984 7.83611 12.096 numMergedOcc 0
31 mol 198 unq 6 iso 0 dist 7.83611 7.48253 11.4181 14.8323 8.74957 19.9545 numMergedOcc 0
32 mol 198 unq 7 iso 0 dist 7.83611 7.48253 11.4181 14.9984 7.91967 15.4032 numMergedOcc 0
33 mol 247 unq 0 iso 0 dist 6.56182 5.27761 6.27547 6.02423 6.77886 10.1603 numMergedOcc 0
34 mol 254 unq 0 iso 0 dist 9.73281 8.4346 11.7618 5.457 9.26382 11.5108 numMergedOcc 0
35 mol 254 unq 1 iso 0 dist 9.73281 7.97728 11.7378 5.457 9.26382 12.0732 numMergedOcc 0
36 mol 283 unq 0 iso 0 dist 8.07626 8.3831 9.07999 4.80485 6.89455 10.5501 numMergedOcc 0
37 mol 283 unq 1 iso 0 dist 8.07626 8.44179 5.0232 4.80485 6.89455 9.6029 numMergedOcc 0
38 mol 283 unq 2 iso 0 dist 6.3448 8.3831 7.39416 4.80485 9.82337 10.5501 numMergedOcc 0
39 mol 283 unq 3 iso 0 dist 6.3448 8.44179 5.78526 4.80485 9.82337 9.6029 numMergedOcc 0
